N-(2-methylphenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0933 |
| Compound Name: | N-(2-methylphenyl)-5-(4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C22 H32 N6 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCCCN2CCN(C)CC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7728 |
| logD: | -0.4318 |
| logSw: | -2.1167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.132 |
| InChI Key: | WMVZWPHZIWYLJM-UHFFFAOYSA-N |